2-[[1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-yl]oxy]acetamide

C15H20N4O3 — CID 23434306

IUPAC2-[[1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-yl]oxy]acetamide
SMILESCC(N)Cn1ncc2ccc3c(c21)CC(OCC(N)=O)CO3
InChIInChI=1S/C15H20N4O3/c1-9(16)6-19-15-10(5-18-19)2-3-13-12(15)4-11(7-22-13)21-8-14(17)20/h2-3,5,9,11H,4,6-8,16H2,1H3,(H2,17,20)
InChIKeySWCAIABWIYDCRA-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.19
Rot. Bonds5

About 2-[[1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-yl]oxy]acetamide

2-[[1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-yl]oxy]acetamide (PubChem CID 23434306) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[[1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-yl]oxy]acetamide
PubChem CID23434306
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name2-[[1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-yl]oxy]acetamide
SMILESCC(N)Cn1ncc2ccc3c(c21)CC(OCC(N)=O)CO3
InChIInChI=1S/C15H20N4O3/c1-9(16)6-19-15-10(5-18-19)2-3-13-12(15)4-11(7-22-13)21-8-14(17)20/h2-3,5,9,11H,4,6-8,16H2,1H3,(H2,17,20)
InChIKeySWCAIABWIYDCRA-UHFFFAOYSA-N
XLogP0.19
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-yl]oxy]acetamide?
The IUPAC name of 2-[[1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-yl]oxy]acetamide (CID 23434306) is 2-[[1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-yl]oxy]acetamide.
What is the SMILES notation for 2-[[1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-yl]oxy]acetamide?
The canonical SMILES for 2-[[1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-yl]oxy]acetamide is CC(N)Cn1ncc2ccc3c(c21)CC(OCC(N)=O)CO3.
What is the InChIKey of 2-[[1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-yl]oxy]acetamide?
The InChIKey is SWCAIABWIYDCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-9(16)6-19-15-10(5-18-19)2-3-13-12(15)4-11(7-22-13)21-8-14(17)20/h2-3,5,9,11H,4,6-8,16H2,1H3,(H2,17,20).
What are the key properties of 2-[[1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-yl]oxy]acetamide?
2-[[1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-yl]oxy]acetamide has a molecular weight of 304.35 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-yl]oxy]acetamide is sourced from PubChem (CID 23434306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).